4D2S
Human TTK in complex with a Dyrk1B inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-13 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 108.013, 113.352, 71.038 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.580 - 2.500 |
R-factor | 0.1811 |
Rwork | 0.179 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.070 | 0.480 |
Number of reflections | 13748 | |
<I/σ(I)> | 18.61 | 4.2 |
Completeness [%] | 88.9 | 68 |
Redundancy | 4.2 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 18% PEG3350, 5% ETHANOL, 0.1M NA CITRATE PH 6 |